Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4034762 | 0.77 | TRPA1 (0.33) | TRPA1ALDH1A1TSHRNPSR1 | |
| SCHEMBL9800750 | 0.77 | TSHR (0.52) | TRPA1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL671830 | 0.77 | TRPA1 (0.33) | TRPA1ALDH1A1TSHR | |
| SCHEMBL10799349 | 0.77 | APEX1 (0.43) | APEX1CA1CA2CA4CA6 | |
| SCHEMBL331501 | 0.75 | TRPA1 (0.47) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL5254088 | 0.73 | APEX1 (0.45) | APEX1CA1CA2CA4CA6 | |
| SCHEMBL28273916 | 0.73 | TRPA1 (0.35) | TRPA1ALDH1A1TSHR | |
| SCHEMBL5254093 | 0.73 | APEX1 (0.45) | APEX1TRPA1CA1CA2CA4 | |
| SCHEMBL642402 | 0.71 | IDO1 (0.40) | TRPA1ALDH1A1TSHRTDP1 | |
| SCHEMBL400236 | 0.71 | IDO1 (0.46) | TRPA1ALDH1A1TSHRTDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350097-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Frosst Canada Ltd. (CA) | 2011-08-03 | — | — | EP | disclosed |
| US-20110166152-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2011-07-07 | — | — | US | disclosed |
| US-20110152295-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2011-06-23 | — | — | US | disclosed |
| EP-2334666-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Canada Inc. (CA) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010037225-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-04-08 | — | — | WO | disclosed |
| WO-2010025553-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-03-11 | — | — | WO | disclosed |
| US-4187310-A | ANTIINFLAMMATORY AGENT, ANALGESICS, ENZYME INHIBITORS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-02-05 | — | — | US | disclosed |
| US-4138490-A | Analgesic compositions containing 1,2-dihydro-2-oxoquinol-4-ylpropionic acid derivatives | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1979-02-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110166152-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | SCD, SCD5, CPT1A | APEX1 1979/4885TRPA1 4414/4885ALDH1A1 792/4885 |
| US-20110152295-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | SCD, SCD5, SREBF1 | APEX1 1471/4885TRPA1 4201/4885ALDH1A1 518/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.